Jeremy Harvey
Jeremy Harvey
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The singlet and triplet states of phenyl cation. A hybrid approach for locating minimum energy crossing points between non-interacting potential energy surfaces
JN Harvey, M Aschi, H Schwarz, W Koch
Theoretical Chemistry Accounts 99 (2), 95-99, 1998
Radicals in organic synthesis
P Renaud, MP Sibi
Wiley-vch, 2001
Mechanism of the Hydrogenation of Ketones Catalyzed by trans-Dihydrido(diamine)ruthenium(II) Complexes
K Abdur-Rashid, SE Clapham, A Hadzovic, JN Harvey, AJ Lough, ...
Journal of the American Chemical Society 124 (50), 15104-15118, 2002
Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges
R Poli, JN Harvey
Chemical Society Reviews 32 (1), 1-8, 2003
Understanding the kinetics of spin-forbidden chemical reactions
JN Harvey
Physical Chemistry Chemical Physics 9 (3), 331-343, 2007
On the accuracy of density functional theory in transition metal chemistry
JN Harvey
Annual Reports Section" C"(Physical Chemistry) 102, 203-226, 2006
Understanding the reactivity of transition metal complexes involving multiple spin states
JN Harvey, R Poli, KM Smith
Coordination chemistry reviews 238, 347-361, 2003
When and how do diaminocarbenes dimerize?
RW Alder, ME Blake, L Chaker, JN Harvey, F Paolini, J Schütz
Angewandte Chemie International Edition 43 (44), 5896-5911, 2004
High‐accuracy computation of reaction barriers in enzymes
F Claeyssens, JN Harvey, FR Manby, RA Mata, AJ Mulholland, ...
Angewandte Chemie 118 (41), 7010-7013, 2006
Spin-forbidden dehydrogenation of methoxy cation: a statistical view
JN Harvey, M Aschi
Physical Chemistry Chemical Physics 1 (24), 5555-5563, 1999
Mechanism of the Morita− Baylis− Hillman reaction: A computational investigation
R Robiette, VK Aggarwal, JN Harvey
Journal of the American Chemical Society 129 (50), 15513-15525, 2007
DFT computation of relative spin-state energetics of transition metal compounds
JN Harvey
Principles and applications of density functional theory in inorganic …, 2004
Taking Ockham's razor to enzyme dynamics and catalysis
DR Glowacki, JN Harvey, AJ Mulholland
Nature chemistry 4 (3), 169-176, 2012
Aryl trifluoroborates in Suzuki–Miyaura coupling: the roles of endogenous aryl boronic acid and fluoride
M Butters, JN Harvey, J Jover, AJJ Lennox, GC Lloyd‐Jones, PM Murray
Angewandte Chemie 122 (30), 5282-5286, 2010
Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus (III)-donor ligands and the metal–phosphorus bond
N Fey, AG Orpen, JN Harvey
Coordination Chemistry Reviews 253 (5-6), 704-722, 2009
Assembly-line synthesis of organic molecules with tailored shapes
M Burns, S Essafi, JR Bame, SP Bull, MP Webster, S Balieu, JW Dale, ...
Nature 513 (7517), 183-188, 2014
Does compound I vary significantly between isoforms of cytochrome P450?
R Lonsdale, J Oláh, AJ Mulholland, JN Harvey
Journal of the American Chemical Society 133 (39), 15464-15474, 2011
Iron (I) in Negishi cross-coupling reactions
CJ Adams, RB Bedford, E Carter, NJ Gower, MF Haddow, JN Harvey, ...
Journal of the American Chemical Society 134 (25), 10333-10336, 2012
Accurate modelling of Pd (0)+ PhX oxidative addition kinetics
CL McMullin, J Jover, JN Harvey, N Fey
Dalton Transactions 39 (45), 10833-10836, 2010
Development and application of a possible mechanism for the generation of cis-pinic acid from the ozonolysis of α-and β-pinene
ME Jenkin, DE Shallcross, JN Harvey
Atmospheric Environment 34 (18), 2837-2850, 2000
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